2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid

C19H22N2O5S — CID 119199358

IUPAC2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)C(=O)O
InChIInChI=1S/C19H22N2O5S/c1-4-19(3,18(23)24)20-17(22)14-9-11-15(12-10-14)27(25,26)21-16-8-6-5-7-13(16)2/h5-12,21H,4H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyDLLHICVPOYCJKJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.78
Rot. Bonds7

About 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid

2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid (PubChem CID 119199358) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
PubChem CID119199358
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)C(=O)O
InChIInChI=1S/C19H22N2O5S/c1-4-19(3,18(23)24)20-17(22)14-9-11-15(12-10-14)27(25,26)21-16-8-6-5-7-13(16)2/h5-12,21H,4H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyDLLHICVPOYCJKJ-UHFFFAOYSA-N
XLogP2.78
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
1-tert-butyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]thiourea
CID 9275720
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
CID 119199013
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
CID 109061141
2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9305972
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 17461919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid (CID 119199358) is 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid is CCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
The InChIKey is DLLHICVPOYCJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-19(3,18(23)24)20-17(22)14-9-11-15(12-10-14)27(25,26)21-16-8-6-5-7-13(16)2/h5-12,21H,4H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid?
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119199358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).